@MOLECULE 71316443 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.9709 -1.5606 0.2880 N.3 1 noname -0.3141 2 C1 -1.9254 -0.6395 0.7306 C.3 1 noname 0.0080 3 C2 -0.7817 -1.4333 1.3653 C.3 1 noname 0.0146 4 C3 0.2624 -0.5135 1.8074 C.2 1 noname -0.0568 5 C4 -1.3957 0.1461 -0.4707 C.3 1 noname -0.0494 6 C5 -3.4770 -2.3113 1.4359 C.3 1 noname -0.0074 7 C6 0.2252 0.0142 3.0928 C.2 1 noname -0.0634 8 C7 1.2937 -0.1654 0.9428 C.2 1 noname -0.0634 9 C8 -4.5712 -3.2753 0.9727 C.3 1 noname -0.0527 10 C9 1.2192 0.8899 3.5136 C.2 1 noname -0.0629 11 C10 2.2877 0.7103 1.3637 C.2 1 noname -0.0629 12 C11 2.2505 1.2380 2.6491 C.2 1 noname -0.0682 13 H1 -2.3380 0.0529 1.4643 H 1 noname 0.0465 14 H2 -0.3690 -2.1258 0.6317 H 1 noname 0.0332 15 H3 -1.1590 -1.9930 2.2212 H 1 noname 0.0332 16 H4 -3.7349 -1.0304 -0.1360 H 1 noname 0.1224 17 H5 -0.6162 0.8328 -0.1407 H 1 noname 0.0246 18 H6 -2.2105 0.7115 -0.9229 H 1 noname 0.0246 19 H7 -0.9831 -0.5464 -1.2044 H 1 noname 0.0246 20 H8 -3.8896 -1.6188 2.1696 H 1 noname 0.0425 21 H9 -2.6622 -2.8768 1.8881 H 1 noname 0.0425 22 H10 -0.5316 -0.2412 3.7272 H 1 noname 0.0625 23 H11 1.3210 -0.5526 -0.0004 H 1 noname 0.0625 24 H12 -4.9485 -3.8350 1.8285 H 1 noname 0.0243 25 H13 -5.3859 -2.7098 0.5205 H 1 noname 0.0243 26 H14 -4.1585 -3.9678 0.2390 H 1 noname 0.0243 27 H15 1.1919 1.2772 4.4569 H 1 noname 0.0622 28 H16 3.0445 0.9657 0.7293 H 1 noname 0.0622 29 H17 2.9799 1.8806 2.9579 H 1 noname 0.0622 @BOND 1 2 1 1 2 1 6 1 3 1 16 1 4 2 3 1 5 2 5 1 6 2 13 1 7 3 4 1 8 3 14 1 9 3 15 1 10 4 7 2 11 4 8 1 12 5 17 1 13 5 18 1 14 5 19 1 15 6 9 1 16 6 20 1 17 6 21 1 18 7 10 1 19 7 22 1 20 8 11 2 21 8 23 1 22 9 24 1 23 9 25 1 24 9 26 1 25 10 12 2 26 10 27 1 27 11 12 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1